HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=315",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=313",
"results": [
{
"id": "jvasp-243",
"created_at": "2022-09-04T14:35:51.061064Z",
"updated_at": "2022-09-04T14:35:51.061086Z",
"structure_string": "Ni2 S4\n1.0\n-1.737253 3.009183 0.000000\n0.000000 0.000000 10.029770\n3.474505 -0.000000 0.000000\nNi S\n2 4\ndirect\n0.666601 0.250000 0.333300 Ni\n0.333377 0.750000 0.666688 Ni\n0.333287 0.138872 0.666643 S\n0.333287 0.361128 0.666643 S\n0.666723 0.638871 0.333361 S\n0.666723 0.861129 0.333361 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ni",
"S"
],
"chemical_system": "Ni-S",
"density": 3.8898037782779697,
"density_atomic": 0.0572161637513656,
"volume": 104.86547168861519,
"volume_molar": 10.525243856210592,
"formula_full": "Ni2 S4",
"formula_reduced": "NiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3892874666666666,
"spacegroup": 194
},
{
"id": "jvasp-86343",
"created_at": "2022-09-04T14:35:51.062641Z",
"updated_at": "2022-09-04T14:35:51.062656Z",
"structure_string": "Sm2 Fe17\n1.0\n6.240972 0.033997 0.794405\n0.703953 6.201237 0.794405\n0.037866 0.033997 6.291214\nSm Fe\n2 17\ndirect\n0.344551 0.344552 0.344552 Sm\n0.655448 0.655450 0.655449 Sm\n0.847528 0.335686 0.335686 Fe\n0.152472 0.664315 0.664315 Fe\n0.664314 0.664315 0.152473 Fe\n0.664314 0.152472 0.664315 Fe\n0.290726 0.000000 0.709274 Fe\n-0.000000 0.709275 0.290726 Fe\n0.709274 0.290726 0.000001 Fe\n0.335686 0.335686 0.847528 Fe\n0.290725 0.709275 0.000001 Fe\n-0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.909184 0.909185 0.909185 Fe\n0.090816 0.090816 0.090816 Fe\n0.335685 0.847529 0.335686 Fe\n0.000000 0.290726 0.709274 Fe\n0.709274 0.000000 0.290726 Fe\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Sm",
"Fe"
],
"chemical_system": "Fe-Sm",
"density": 8.542611966232949,
"density_atomic": 0.07819079686528314,
"volume": 242.9953493470027,
"volume_molar": 7.701853672594866,
"formula_full": "Sm2 Fe17",
"formula_reduced": "Sm2Fe17",
"formula_anonymous": "A2B17",
"energy_above_hull": 4.07868375,
"spacegroup": 166
},
{
"id": "jvasp-93451",
"created_at": "2022-09-04T14:35:51.066495Z",
"updated_at": "2022-09-04T14:35:51.066519Z",
"structure_string": "K1 B1 F4\n1.0\n3.997366 -1.320643 2.667486\n0.241286 4.208262 2.652312\n-0.168941 -0.099389 5.114416\nK B F\n1 1 4\ndirect\n0.358925 0.221802 0.614104 K\n0.859020 0.722025 0.613594 B\n0.582891 0.692029 0.925793 F\n0.135278 0.751890 0.619453 F\n0.829545 0.445688 0.607412 F\n0.888349 -0.001432 0.301644 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"B",
"F"
],
"chemical_system": "B-F-K",
"density": 2.2938512810725165,
"density_atomic": 0.0658311789363088,
"volume": 91.14222313723043,
"volume_molar": 9.14785494852884,
"formula_full": "K1 B1 F4",
"formula_reduced": "KBF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0286469522222221,
"spacegroup": 121
},
{
"id": "jvasp-71211",
"created_at": "2022-09-04T14:35:51.067800Z",
"updated_at": "2022-09-04T14:35:51.067833Z",
"structure_string": "Be1 Zn1 Ru4\n1.0\n-0.000000 3.556411 3.556411\n3.556411 -0.000000 3.556411\n3.556411 3.556411 0.000000\nBe Zn Ru\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Zn\n0.124470 0.625176 0.625176 Ru\n0.625176 0.625176 0.625176 Ru\n0.625176 0.124470 0.625176 Ru\n0.625176 0.625176 0.124470 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Zn",
"Ru"
],
"chemical_system": "Be-Ru-Zn",
"density": 8.835838454712587,
"density_atomic": 0.06669379344706346,
"volume": 89.96339374161332,
"volume_molar": 9.029537005988308,
"formula_full": "Be1 Zn1 Ru4",
"formula_reduced": "BeZnRu4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.48489475,
"spacegroup": 216
},
{
"id": "jvasp-43964",
"created_at": "2022-09-04T14:35:51.070207Z",
"updated_at": "2022-09-04T14:35:51.070234Z",
"structure_string": "Na6 Fe2 O8\n1.0\n0.000000 5.200948 -0.000920\n6.376452 0.000000 0.000000\n0.000000 -1.930603 -5.357697\nNa Fe O\n6 2 8\ndirect\n0.250000 0.619879 0.000000 Na\n0.750000 0.380120 0.000000 Na\n0.250000 0.884963 0.500000 Na\n0.250000 0.373296 0.500000 Na\n0.750001 0.626704 0.500000 Na\n0.750001 0.115037 0.500000 Na\n0.250000 0.127746 0.000000 Fe\n0.750000 0.872254 0.000000 Fe\n0.050221 0.321701 0.783474 O\n0.493123 0.097003 0.812520 O\n0.550221 0.678299 0.783474 O\n0.993124 0.902996 0.812520 O\n0.449780 0.321701 0.216527 O\n0.506878 0.902996 0.187481 O\n0.949780 0.678299 0.216527 O\n0.006878 0.097003 0.187481 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Fe",
"O"
],
"chemical_system": "Fe-Na-O",
"density": 3.5289136927870826,
"density_atomic": 0.09004353692864761,
"volume": 177.69182048766848,
"volume_molar": 6.688032217983697,
"formula_full": "Na6 Fe2 O8",
"formula_reduced": "Na3FeO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.3921858125,
"spacegroup": 13
},
{
"id": "jvasp-97660",
"created_at": "2022-09-04T14:35:51.074235Z",
"updated_at": "2022-09-04T14:35:51.074257Z",
"structure_string": "Ba14 Na14 Ca1 N6\n1.0\n10.763340 -0.000000 6.214217\n3.587780 10.147774 6.214217\n0.000000 0.000000 12.428434\nBa Na Ca N\n14 14 1 6\ndirect\n0.290573 0.709427 0.709428 Ba\n0.709428 0.709427 0.290573 Ba\n0.290573 0.709427 0.290573 Ba\n0.709428 0.290572 0.709428 Ba\n0.709428 0.290572 0.290573 Ba\n0.108385 0.108385 0.108385 Ba\n0.891615 0.891615 0.325155 Ba\n0.325155 0.891615 0.891615 Ba\n0.891615 0.325155 0.891615 Ba\n0.674845 0.108385 0.108385 Ba\n0.108385 0.674845 0.108385 Ba\n0.108385 0.108385 0.674845 Ba\n0.891615 0.891615 0.891615 Ba\n0.290573 0.290572 0.709427 Ba\n0.000000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.670205 0.670204 0.670205 Na\n0.329795 0.329795 0.010614 Na\n0.500000 0.000000 0.000000 Na\n0.010614 0.329795 0.329795 Na\n0.670205 0.989386 0.670205 Na\n0.329795 0.010614 0.329795 Na\n0.670205 0.670204 0.989386 Na\n0.329795 0.329795 0.329795 Na\n0.000000 0.000000 0.500000 Na\n0.989386 0.670204 0.670205 Na\n0.000000 0.000000 0.000000 Ca\n0.146036 0.853964 0.853964 N\n0.146036 0.146036 0.853964 N\n0.853964 0.853964 0.146036 N\n0.146036 0.853964 0.146036 N\n0.853964 0.146036 0.853964 N\n0.853964 0.146036 0.146036 N\n",
"nsites": 35,
"nelements": 4,
"elements": [
"Ba",
"Na",
"Ca",
"N"
],
"chemical_system": "Ba-Ca-N-Na",
"density": 2.8973298641868506,
"density_atomic": 0.02578302015730885,
"volume": 1357.4825519452718,
"volume_molar": 23.357002877309824,
"formula_full": "Ba14 Na14 Ca1 N6",
"formula_reduced": "Ba14Na14CaN6",
"formula_anonymous": "AB6C14D14",
"energy_above_hull": 0.6243748428571428,
"spacegroup": 225
},
{
"id": "jvasp-105699",
"created_at": "2022-09-04T14:35:51.086827Z",
"updated_at": "2022-09-04T14:35:51.086852Z",
"structure_string": "Ba1 Ca1 I4\n1.0\n5.637281 0.000000 0.000000\n-0.000000 5.637281 -0.000000\n-0.000000 -0.000000 8.086781\nBa Ca I\n1 1 4\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.000000 0.500000 0.264694 I\n0.500000 0.000000 0.264694 I\n0.000000 0.500000 0.735306 I\n0.500000 0.000000 0.735306 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 4.426282470670982,
"density_atomic": 0.023347275137244636,
"volume": 256.9893045218166,
"volume_molar": 25.79376276074807,
"formula_full": "Ba1 Ca1 I4",
"formula_reduced": "BaCaI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0125916666666666,
"spacegroup": 123
},
{
"id": "jvasp-74945",
"created_at": "2022-09-04T14:35:51.087256Z",
"updated_at": "2022-09-04T14:35:51.087272Z",
"structure_string": "Sr1 Be1 Bi2\n1.0\n-2.316401 2.316401 5.235629\n2.316401 -2.316401 5.235629\n2.316401 2.316401 -5.235629\nSr Be Bi\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Sr\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Bi\n0.250000 0.750000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Be",
"Bi"
],
"chemical_system": "Be-Bi-Sr",
"density": 7.604253968181396,
"density_atomic": 0.03559620079467179,
"volume": 112.37154276865242,
"volume_molar": 16.917931199279625,
"formula_full": "Sr1 Be1 Bi2",
"formula_reduced": "SrBeBi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7881527524999998,
"spacegroup": 119
},
{
"id": "jvasp-48666",
"created_at": "2022-09-04T14:35:51.088869Z",
"updated_at": "2022-09-04T14:35:51.088899Z",
"structure_string": "Li2 V1 F6\n1.0\n2.774375 4.448707 1.012187\n-2.774375 4.448707 1.012187\n0.000000 0.960292 4.901124\nLi V F\n2 1 6\ndirect\n0.743332 0.743284 0.619656 Li\n0.256716 0.256669 0.380344 Li\n0.000006 -0.000006 0.000000 V\n0.333245 0.872188 0.705675 F\n0.127812 0.666756 0.294325 F\n0.173381 0.173380 0.094805 F\n0.826620 0.826620 0.905195 F\n0.872196 0.333207 0.705670 F\n0.666794 0.127805 0.294330 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 2.5688052687180742,
"density_atomic": 0.0778615909154363,
"volume": 115.58972651579512,
"volume_molar": 7.734417816533584,
"formula_full": "Li2 V1 F6",
"formula_reduced": "Li2VF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.3007150994444443,
"spacegroup": 12
},
{
"id": "jvasp-98189",
"created_at": "2022-09-04T14:35:51.091164Z",
"updated_at": "2022-09-04T14:35:51.091191Z",
"structure_string": "Hf2 Ge4\n1.0\n3.782845 -0.000000 0.000000\n0.000000 3.705666 -0.942322\n-0.000000 0.000937 7.761080\nHf Ge\n2 4\ndirect\n0.250000 0.894254 0.788506 Hf\n0.749999 0.105748 0.211495 Hf\n0.250000 0.560765 0.121529 Ge\n0.749999 0.439237 0.878471 Ge\n0.749999 0.749707 0.499412 Ge\n0.250000 0.250295 0.500588 Ge\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hf",
"Ge"
],
"chemical_system": "Ge-Hf",
"density": 9.883149975959977,
"density_atomic": 0.05514814868084411,
"volume": 108.79784985573087,
"volume_molar": 10.919932770275953,
"formula_full": "Hf2 Ge4",
"formula_reduced": "HfGe2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.9376249666666665,
"spacegroup": 63
},
{
"id": "jvasp-70821",
"created_at": "2022-09-04T14:35:51.091410Z",
"updated_at": "2022-09-04T14:35:51.091455Z",
"structure_string": "Ca1 Be2 Re1\n1.0\n3.338022 -3.065491 0.000000\n3.338022 3.065491 0.000000\n0.000000 0.000000 2.694986\nCa Be Re\n1 2 1\ndirect\n0.500000 -0.000000 0.500001 Ca\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n-0.000000 0.500000 0.500001 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Re"
],
"chemical_system": "Be-Ca-Re",
"density": 7.355521367032073,
"density_atomic": 0.07252441629828402,
"volume": 55.15383927460362,
"volume_molar": 8.303604589151984,
"formula_full": "Ca1 Be2 Re1",
"formula_reduced": "CaBe2Re",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.650612655,
"spacegroup": 65
},
{
"id": "jvasp-15484",
"created_at": "2022-09-04T14:35:51.091684Z",
"updated_at": "2022-09-04T14:35:51.091716Z",
"structure_string": "Dy1 Fe2 Si2\n1.0\n3.725269 -0.000000 -1.360666\n-0.496987 3.691969 -1.360666\n-0.093884 -0.107369 5.522870\nDy Fe Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.250000 0.750000 0.499999 Fe\n0.750001 0.250000 0.499999 Fe\n0.634347 0.634348 0.268694 Si\n0.365653 0.365652 0.731305 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Dy",
"Fe",
"Si"
],
"chemical_system": "Dy-Fe-Si",
"density": 7.326991641560695,
"density_atomic": 0.06678175545550223,
"volume": 74.87074824398081,
"volume_molar": 9.017643694635506,
"formula_full": "Dy1 Fe2 Si2",
"formula_reduced": "Dy(FeSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.96270894,
"spacegroup": 139
}
]
}